ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2017179
CHEMBL2017179
Compound Name EVACETRAPIB
ChEMBL Synonyms EVACETRAPIB | LY2484595
Max Phase 3
Trade Names
Molecular Formula C31H36F6N6O2

Additional synonyms for CHEMBL2017179 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C)c2N(C[C@@H]3CC[C@H](CC3)C(=O)O)CCC[C@H](N(Cc4cc(cc(c ...
Download SMILES
Standard InChI InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42 ...
Download InChI
Standard InChI Key IHIUGIVXARLYHP-YBXDKENTSA-N

Sources

  • Clinical Candidates
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2017179

Molecule Features

CHEMBL2017179 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cholesteryl ester transfer protein inhibitor Cholesteryl ester transfer protein PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
LIPID METABOLISM DISORDERSD052439Orphanet:309005DISORDER OF LIPID METABOLISM2ClinicalTrials
CARDIOVASCULAR DISEASESD002318EFO:0000319CARDIOVASCULAR DISEASE3ClinicalTrials
HYPERCHOLESTEROLEMIAD006937HP:0003124HYPERCHOLESTEROLEMIA3ClinicalTrials

Clinical Data

ClinicalTrials.gov EVACETRAPIB
The Cochrane Collaboration EVACETRAPIB

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
638.7 638.2804 8.62 9 87.38 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 2 8 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.73 5.7 7.79 5.25 3 45 0.24

Structural Alerts

There are 1 structural alerts for CHEMBL2017179. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IHIUGIVXARLYHP-YBXDKENTSA-N
Wikipedia Evacetrapib

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2017179



BindingDB 50381415
DrugBank DB11655
FDA SRS 51XWV9K850
IBM Patent System D8431AAED5710E4DB54C8ABBA6BBA922
MolPort MolPort-028-720-418
PubChem: Thomson Pharma 103911733
Selleck evacetrapib-ly2484595
SureChEMBL SCHEMBL108602

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IHIUGIVXARLYHP-YBXDKENTSA-N spacer
spacer